SCHEMBL7855413

SCHEMBL7855413

CC(C)NCCCCC#N

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
MAPT P10636 1/20 0.37
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
GBA1 P04062 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADRB2 P07550 1/20 0.31
HTR1B P28222 1/20 0.30
NR2E1 Q9Y466 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24230133 0.98 TSHR (0.40) TSHRMAPTHRH4HRH3GBA1
SCHEMBL8851480 0.92
SCHEMBL297924 0.84
Hydrochloric Acid SCHEMBL5595671 0.82
SCHEMBL2600364 0.81 HRH4 (0.43) HRH4HRH3ALDH1A1ADRB2HTR1B
SCHEMBL7672123 0.78 HRH4 (0.34) HRH4HRH3ALDH1A1ADRB2
SCHEMBL19350614 0.78 HRH4 (0.45) HRH4HRH3ALDH1A1ADRB2HTR1B
SCHEMBL841330 0.78 HRH4 (0.45) HRH4HRH3ALDH1A1ADRB2HTR1B
SCHEMBL754871 0.78 HRH4 (0.45) HRH4HRH3ALDH1A1ADRB2HTR1B
SCHEMBL4789143 0.78 HRH4 (0.45) HRH4HRH3ALDH1A1ADRB2HTR1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024081311-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2024-04-18 WO disclosed
WO-2024059041-A1 BENZO-FUSED N-HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES, INC. (US) 2024-03-21 WO disclosed
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-05-11 US disclosed
WO-2022192598-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2022-09-15 WO disclosed
US-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use EMORY UNIVERSITY (US) 2012-01-26 US disclosed
EP-1112266-A1 SUBSTITUTED 4-AMINO-2-ARYL-PYRIMIDINES, THEIR PRODUCTION AND USE AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME Aventis Pharma Deutschland GmbH (DE) 2001-07-04 EP disclosed
WO-2000009496-A1 SUBSTITUTED 4-AMINO-2-ARYL-PYRIMIDINES, THEIR PRODUCTION AND USE AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-02-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS ENTPD5, ENTPD1, SLC29A1 TSHR 1658/4885MAPT 4694/4885HRH4 1318/4885
US-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use HSP90AB1, HSP90AA1, HSP90AB2P TSHR 4471/4885MAPT 357/4885HRH4 3901/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.